1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine

C13H16N4 — CID 134277842

IUPAC1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1CC2(CNC2)C1
InChIInChI=1S/C13H16N4/c14-12-16-10-3-1-2-4-11(10)17(12)9-5-13(6-9)7-15-8-13/h1-4,9,15H,5-8H2,(H2,14,16)
InChIKeyHICPKSVOFWTGMJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.54
Rot. Bonds1

About 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine

1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine (PubChem CID 134277842) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine
PubChem CID134277842
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1C1CC2(CNC2)C1
InChIInChI=1S/C13H16N4/c14-12-16-10-3-1-2-4-11(10)17(12)9-5-13(6-9)7-15-8-13/h1-4,9,15H,5-8H2,(H2,14,16)
InChIKeyHICPKSVOFWTGMJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]benzimidazol-2-amine
CID 53260727
(1S,2R,4R)-4-(2-aminobenzimidazol-1-yl)cyclohexane-1,2-diol
CID 139447792
cis-(1S,3R)-3-(2-aminobenzimidazol-1-yl)cyclohexan-1-ol
CID 139447970
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138
5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine
CID 103967512
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
CID 140529272
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
2-phenyl-1-piperidin-4-ylbenzimidazole
CID 21222159
1-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]benzimidazol-2-amine
CID 140572015
4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135587492
1-[1-(5-chloro-2-nitrophenyl)piperidin-4-yl]benzimidazol-2-amine
CID 67994264

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine?
The IUPAC name of 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine (CID 134277842) is 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine is Nc1nc2ccccc2n1C1CC2(CNC2)C1.
What is the InChIKey of 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine?
The InChIKey is HICPKSVOFWTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-12-16-10-3-1-2-4-11(10)17(12)9-5-13(6-9)7-15-8-13/h1-4,9,15H,5-8H2,(H2,14,16).
What are the key properties of 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine?
1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.3]heptan-6-yl)benzimidazol-2-amine is sourced from PubChem (CID 134277842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).